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PUBCHEM-ZINC06255968

 MMsINC code: MMs03641419
Type: Neutral
Formula: C15H26N2O6
SMILES:   O1CCN(CC1)C(=O)COCC(=O)NC(CC(C)C)C(OC)=O
InChI:   InChI=1/C15H26N2O6/c1-11(2)8-12(15(20)21-3)16-13(18)9-23-10-14(19)17-4-6-22-7-5-17/h11-12H,4-10H2,1-3H3,(H,16,18)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=106.251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.381 g/mol  logS: -2.2314  SlogP: -0.4343  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0478543  Sterimol/B1: 2.33076  Sterimol/B2: 2.52449  Sterimol/B3: 4.66318
  Sterimol/B4: 7.93138  Sterimol/L: 18.501 
 
 Surface and Volume Properties
  Accessible surface: 618.901  Positive charged surface: 498.186  Negative charged surface: 120.715  Volume: 316.375
  Hydrophobic surface: 460.666  Hydrophilic surface: 158.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.